2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline

C11H13BrClN — CID 106437287

IUPAC2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
SMILESC/C(=C/Cl)CNc1ccc(C)cc1Br
InChIInChI=1S/C11H13BrClN/c1-8-3-4-11(10(12)5-8)14-7-9(2)6-13/h3-6,14H,7H2,1-2H3/b9-6-
InChIKeyCTKLAAAOELLXHE-TWGQIWQCSA-N
MW274.59 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline

2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline (PubChem CID 106437287) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
PubChem CID106437287
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
SMILESC/C(=C/Cl)CNc1ccc(C)cc1Br
InChIInChI=1S/C11H13BrClN/c1-8-3-4-11(10(12)5-8)14-7-9(2)6-13/h3-6,14H,7H2,1-2H3/b9-6-
InChIKeyCTKLAAAOELLXHE-TWGQIWQCSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline
CID 106438063
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
CID 33163268
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
2-[(2-bromo-4-methylanilino)methylidene]propanedinitrile
CID 26485291
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
[(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]azanium
CID 7452472
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-fluoro-2-methoxyaniline
CID 106437627
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline (CID 106437287) is 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline is C/C(=C/Cl)CNc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
The InChIKey is CTKLAAAOELLXHE-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-8-3-4-11(10(12)5-8)14-7-9(2)6-13/h3-6,14H,7H2,1-2H3/b9-6-.
What are the key properties of 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline?
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline has a molecular weight of 274.59 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-4-methylaniline is sourced from PubChem (CID 106437287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).